N-(1-hydroxypropan-2-yl)-2-(6-methoxynaphthalen-2-yl)quinoline-4-carboxamide

C24H22N2O3 — CID 112818191

IUPACN-(1-hydroxypropan-2-yl)-2-(6-methoxynaphthalen-2-yl)quinoline-4-carboxamide
SMILESCOc1ccc2cc(-c3cc(C(=O)NC(C)CO)c4ccccc4n3)ccc2c1
InChIInChI=1S/C24H22N2O3/c1-15(14-27)25-24(28)21-13-23(26-22-6-4-3-5-20(21)22)18-8-7-17-12-19(29-2)10-9-16(17)11-18/h3-13,15,27H,14H2,1-2H3,(H,25,28)
InChIKeyVITBJTQBFIPBTQ-UHFFFAOYSA-N
MW386.45 g/mol
LogP4.17
Rot. Bonds5

About N-(1-hydroxypropan-2-yl)-2-(6-methoxynaphthalen-2-yl)quinoline-4-carboxamide

N-(1-hydroxypropan-2-yl)-2-(6-methoxynaphthalen-2-yl)quinoline-4-carboxamide (PubChem CID 112818191) has the molecular formula C24H22N2O3 and a molecular weight of 386.45 g/mol. Its IUPAC name is N-(1-hydroxypropan-2-yl)-2-(6-methoxynaphthalen-2-yl)quinoline-4-carboxamide.

Molecular Properties

Compound NameN-(1-hydroxypropan-2-yl)-2-(6-methoxynaphthalen-2-yl)quinoline-4-carboxamide
PubChem CID112818191
Molecular FormulaC24H22N2O3
Molecular Weight386.45 g/mol
Exact Mass386.16
IUPAC NameN-(1-hydroxypropan-2-yl)-2-(6-methoxynaphthalen-2-yl)quinoline-4-carboxamide
SMILESCOc1ccc2cc(-c3cc(C(=O)NC(C)CO)c4ccccc4n3)ccc2c1
InChIInChI=1S/C24H22N2O3/c1-15(14-27)25-24(28)21-13-23(26-22-6-4-3-5-20(21)22)18-8-7-17-12-19(29-2)10-9-16(17)11-18/h3-13,15,27H,14H2,1-2H3,(H,25,28)
InChIKeyVITBJTQBFIPBTQ-UHFFFAOYSA-N
XLogP4.17
TPSA71.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.45
LogP ≤ 54.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-methoxyphenyl)-N-[(2R)-2-[[2-(4-methoxyphenyl)quinoline-4-carbonyl]amino]propyl]quinoline-4-carboxamide
CID 2165480
2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(1-hydroxypropan-2-yl)quinoline-4-carboxamide
CID 78856708
(2-methoxy-2-oxoethyl) 2-(6-methoxynaphthalen-2-yl)quinoline-4-carboxylate
CID 16568659
N-ethyl-2-(6-methoxynaphthalen-2-yl)-N-[2-oxo-2-(propan-2-ylamino)ethyl]quinoline-4-carboxamide
CID 55343603
2-(4-methoxyphenyl)-N'-(2-methylpropanoyl)quinoline-4-carbohydrazide
CID 24542943
2-(4-methoxyphenyl)-N-[4-[[2-(4-methoxyphenyl)quinoline-4-carbonyl]amino]butyl]quinoline-4-carboxamide
CID 3631336
2-(4-butoxyphenyl)-N-[1-(4-methoxyphenyl)ethyl]quinoline-4-carboxamide
CID 3274863
N-[(2S)-1-aminopropan-2-yl]-2-(3,4,5-trimethoxyphenyl)quinoline-4-carboxamide
CID 120506277
2-(4-methoxyphenyl)-N-[(1R)-1-(4-methylsulfonylphenyl)ethyl]quinoline-4-carboxamide
CID 40875191
N-[1-(1-adamantyl)ethyl]-2-(4-methoxyphenyl)quinoline-4-carboxamide
CID 4060319
N-(1,2-diphenylethyl)-2-(3-methoxyphenyl)quinoline-4-carboxamide
CID 42749565
2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(1-methoxypropan-2-yl)quinoline-4-carboxamide
CID 51172531

Frequently Asked Questions

What is the IUPAC name of N-(1-hydroxypropan-2-yl)-2-(6-methoxynaphthalen-2-yl)quinoline-4-carboxamide?
The IUPAC name of N-(1-hydroxypropan-2-yl)-2-(6-methoxynaphthalen-2-yl)quinoline-4-carboxamide (CID 112818191) is N-(1-hydroxypropan-2-yl)-2-(6-methoxynaphthalen-2-yl)quinoline-4-carboxamide.
What is the SMILES notation for N-(1-hydroxypropan-2-yl)-2-(6-methoxynaphthalen-2-yl)quinoline-4-carboxamide?
The canonical SMILES for N-(1-hydroxypropan-2-yl)-2-(6-methoxynaphthalen-2-yl)quinoline-4-carboxamide is COc1ccc2cc(-c3cc(C(=O)NC(C)CO)c4ccccc4n3)ccc2c1.
What is the InChIKey of N-(1-hydroxypropan-2-yl)-2-(6-methoxynaphthalen-2-yl)quinoline-4-carboxamide?
The InChIKey is VITBJTQBFIPBTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N2O3/c1-15(14-27)25-24(28)21-13-23(26-22-6-4-3-5-20(21)22)18-8-7-17-12-19(29-2)10-9-16(17)11-18/h3-13,15,27H,14H2,1-2H3,(H,25,28).
What are the key properties of N-(1-hydroxypropan-2-yl)-2-(6-methoxynaphthalen-2-yl)quinoline-4-carboxamide?
N-(1-hydroxypropan-2-yl)-2-(6-methoxynaphthalen-2-yl)quinoline-4-carboxamide has a molecular weight of 386.45 g/mol, XLogP of 4.17, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-hydroxypropan-2-yl)-2-(6-methoxynaphthalen-2-yl)quinoline-4-carboxamide is sourced from PubChem (CID 112818191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).